N-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide

C16H22N4O — CID 16782185

IUPACN-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n(CCCC(=O)Nc2cccc(CN)c2)n1
InChIInChI=1S/C16H22N4O/c1-12-9-13(2)20(19-12)8-4-7-16(21)18-15-6-3-5-14(10-15)11-17/h3,5-6,9-10H,4,7-8,11,17H2,1-2H3,(H,18,21)
InChIKeyYEJOHOSQCPMJCF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.38
Rot. Bonds6

About N-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide

N-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide (PubChem CID 16782185) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide
PubChem CID16782185
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n(CCCC(=O)Nc2cccc(CN)c2)n1
InChIInChI=1S/C16H22N4O/c1-12-9-13(2)20(19-12)8-4-7-16(21)18-15-6-3-5-14(10-15)11-17/h3,5-6,9-10H,4,7-8,11,17H2,1-2H3,(H,18,21)
InChIKeyYEJOHOSQCPMJCF-UHFFFAOYSA-N
XLogP2.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide
CID 146087761
4-(3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-2-methylindol-5-yl)butanamide
CID 16673218
N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide
CID 63254387
3-(4-bromo-3-methylpyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]propanamide
CID 19565653
N-[3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55886714
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide
CID 63254516
N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265468
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16786978

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide (CID 16782185) is N-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide is Cc1cc(C)n(CCCC(=O)Nc2cccc(CN)c2)n1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide?
The InChIKey is YEJOHOSQCPMJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-9-13(2)20(19-12)8-4-7-16(21)18-15-6-3-5-14(10-15)11-17/h3,5-6,9-10H,4,7-8,11,17H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide?
N-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide has a molecular weight of 286.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 16782185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).